2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile

Systemtic Name: 2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile Openeye Name: 2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile CAS Name: 2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-4,6-bis(4-methoxyphenyl)-3-pyridinecarbonitrile IUPAC Name: 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile Traditional Name: 2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-4,6-bis(4-methoxyphenyl)nicotinonitrile Formula: C28H21BrN2O3S MolecularWeight: 545.44694

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)OC

InChI

InChI=1S/C28H21BrN2O3S/c1-33-22-11-5-18(6-12-22)24-15-26(19-7-13-23(34-2)14-8-19)31-28(25(24)16-30)35-17-27(32)20-3-9-21(29)10-4-20/h3-15H,17H2,1-2H3